Sugi Predict

Sugi Predict / Compounds / SCHEMBL965856

SCHEMBL965856

SCHEMBL965856

Cc1nn(C)c(-n2ccc3ccccc32)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.40
▸ HPGD P15428 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCE Q02156 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4553928 0.87 CA12 (0.35) HTTHPGDCYP1A2CYP2C9CA12
SCHEMBL961972 0.84 ROCK1 (0.41) HTTCYP1A2CYP2C9SMN1; SMN2CYP2C19
SCHEMBL962802 0.83 MAPT (0.45) MAPTCDC7CDK2
SCHEMBL965576 0.83 CDC7 (0.39) SMN1; SMN2MAPTCDC7CDK2
SCHEMBL962635 0.82 ALDH1A1 (0.50) HTTHPGDCA12CA9BRD4
SCHEMBL962637 0.82 ALDH1A1 (0.50) HTTHPGDCA12CA9BRD4
SCHEMBL963702 0.82 SMN1; SMN2 (0.45) HTTCYP1A2CYP2C9SMN1; SMN2CYP2C19
SCHEMBL962714 0.82 ALDH1A1 (0.38) HTTHPGDCYP1A2CYP2C9SMN1; SMN2
SCHEMBL966593 0.82 CDC7 (0.40) HTTCYP1A2CYP2C9SMN1; SMN2CYP2C19
SCHEMBL965606 0.82 SMN1; SMN2 (0.45) HTTCYP1A2CYP2C9SMN1; SMN2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 — — US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 — — CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 — — EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 — — WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 HTT 3376/4885HPGD 598/4885CYP1A2 537/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HTT 3799/4885HPGD 378/4885CYP1A2 665/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.